4-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol

C13H17N5O — CID 137286240

IUPAC4-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol
SMILESCN(C)c1nc(-c2ccc(O)cc2)nc(N(C)C)n1
InChIInChI=1S/C13H17N5O/c1-17(2)12-14-11(15-13(16-12)18(3)4)9-5-7-10(19)8-6-9/h5-8,19H,1-4H3
InChIKeyULHHYMXGYBIRTQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.38
Rot. Bonds3

About 4-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol

4-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol (PubChem CID 137286240) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name4-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol
PubChem CID137286240
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol
SMILESCN(C)c1nc(-c2ccc(O)cc2)nc(N(C)C)n1
InChIInChI=1S/C13H17N5O/c1-17(2)12-14-11(15-13(16-12)18(3)4)9-5-7-10(19)8-6-9/h5-8,19H,1-4H3
InChIKeyULHHYMXGYBIRTQ-UHFFFAOYSA-N
XLogP1.38
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 4-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol (CID 137286240) is 4-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 4-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 4-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol is CN(C)c1nc(-c2ccc(O)cc2)nc(N(C)C)n1.
What is the InChIKey of 4-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol?
The InChIKey is ULHHYMXGYBIRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-17(2)12-14-11(15-13(16-12)18(3)4)9-5-7-10(19)8-6-9/h5-8,19H,1-4H3.
What are the key properties of 4-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol?
4-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol has a molecular weight of 259.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 137286240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).